N'-[(1-methyl-2-oxopiperidin-4-yl)methyl]azepane-1-carboximidamide

C14H26N4O — CID 122125931

IUPACN'-[(1-methyl-2-oxopiperidin-4-yl)methyl]azepane-1-carboximidamide
SMILESCN1CCC(C/N=C(\N)N2CCCCCC2)CC1=O
InChIInChI=1S/C14H26N4O/c1-17-9-6-12(10-13(17)19)11-16-14(15)18-7-4-2-3-5-8-18/h12H,2-11H2,1H3,(H2,15,16)
InChIKeyORICZNXDRJJPJD-UHFFFAOYSA-N
MW266.39 g/mol
LogP1.05
Rot. Bonds2

About N'-[(1-methyl-2-oxopiperidin-4-yl)methyl]azepane-1-carboximidamide

N'-[(1-methyl-2-oxopiperidin-4-yl)methyl]azepane-1-carboximidamide (PubChem CID 122125931) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is N'-[(1-methyl-2-oxopiperidin-4-yl)methyl]azepane-1-carboximidamide.

Molecular Properties

Compound NameN'-[(1-methyl-2-oxopiperidin-4-yl)methyl]azepane-1-carboximidamide
PubChem CID122125931
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC NameN'-[(1-methyl-2-oxopiperidin-4-yl)methyl]azepane-1-carboximidamide
SMILESCN1CCC(C/N=C(\N)N2CCCCCC2)CC1=O
InChIInChI=1S/C14H26N4O/c1-17-9-6-12(10-13(17)19)11-16-14(15)18-7-4-2-3-5-8-18/h12H,2-11H2,1H3,(H2,15,16)
InChIKeyORICZNXDRJJPJD-UHFFFAOYSA-N
XLogP1.05
TPSA61.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N'-[(1-methyl-2-oxopiperidin-4-yl)methyl]azetidine-1-carboximidamide
CID 122125923
tert-butyl 4-[[[amino(piperidin-1-yl)methylidene]amino]methyl]piperidine-1-carboxylate
CID 111063054
tert-butyl 3-[[[amino(piperidin-1-yl)methylidene]amino]methyl]pyrrolidine-1-carboxylate
CID 110032358
tert-butyl 3-[[[amino(azepan-1-yl)methylidene]amino]methyl]pyrrolidine-1-carboxylate;hydroiodide
CID 110032291
4-methyl-N'-[(5-oxo-1-propylpyrrolidin-3-yl)methyl]piperidine-1-carboximidamide
CID 122101547
N'-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-4-methylpiperidine-1-carboximidamide
CID 110017734
N'-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]azepane-1-carboximidamide;hydroiodide
CID 75495275
2-[4-[[[amino(piperidin-1-yl)methylidene]amino]methyl]piperidin-1-yl]-N-tert-butylacetamide
CID 111859823
N'-[[2-(methanesulfonamido)cyclohexyl]methyl]azepane-1-carboximidamide
CID 120973217
N'-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]azepane-1-carboximidamide;hydroiodide
CID 86779293
N'-[(1-cyclopropylpiperidin-4-yl)methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 120581654
N'-[(1-ethylpyrrolidin-2-yl)methyl]piperidine-1-carboximidamide;hydroiodide
CID 111026588

Frequently Asked Questions

What is the IUPAC name of N'-[(1-methyl-2-oxopiperidin-4-yl)methyl]azepane-1-carboximidamide?
The IUPAC name of N'-[(1-methyl-2-oxopiperidin-4-yl)methyl]azepane-1-carboximidamide (CID 122125931) is N'-[(1-methyl-2-oxopiperidin-4-yl)methyl]azepane-1-carboximidamide.
What is the SMILES notation for N'-[(1-methyl-2-oxopiperidin-4-yl)methyl]azepane-1-carboximidamide?
The canonical SMILES for N'-[(1-methyl-2-oxopiperidin-4-yl)methyl]azepane-1-carboximidamide is CN1CCC(C/N=C(\N)N2CCCCCC2)CC1=O.
What is the InChIKey of N'-[(1-methyl-2-oxopiperidin-4-yl)methyl]azepane-1-carboximidamide?
The InChIKey is ORICZNXDRJJPJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c1-17-9-6-12(10-13(17)19)11-16-14(15)18-7-4-2-3-5-8-18/h12H,2-11H2,1H3,(H2,15,16).
What are the key properties of N'-[(1-methyl-2-oxopiperidin-4-yl)methyl]azepane-1-carboximidamide?
N'-[(1-methyl-2-oxopiperidin-4-yl)methyl]azepane-1-carboximidamide has a molecular weight of 266.39 g/mol, XLogP of 1.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(1-methyl-2-oxopiperidin-4-yl)methyl]azepane-1-carboximidamide is sourced from PubChem (CID 122125931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).